COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442963
Chemical Name: (4Z)-1-(3,5-dichlorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrobenzylidene)pyrazolidine-3,5-dione
Smiles: COc1cc(/C=C\2/C(=O)NN(C2=O)c2cc(Cl)cc(c2)Cl)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 424.2
Empirical Formula: C17H11Cl2N3O6

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 4.306
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 124
Number of rings: 3

     

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